Ki Summary

Reaction Details

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Target

Prolyl endopeptidase

Ligand

BDBM50155838

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1584428 (CHEMBL3819971)

0.020000±n/a nM

Citation

Mariaule, G; De Cesco, S; Airaghi, F; Kurian, J; Schiavini, P; Rocheleau, S; Huskic, I; Auclair, K; Mittermaier, A; Moitessier, N 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors. J Med Chem59:4221-34 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Prolyl endopeptidase

Name:

Prolyl endopeptidase

Synonyms:

PPCE_RAT | Prep

Type:

PROTEIN

Mol. Mass.:

80731.99

Organism:

Rattus norvegicus

Description:

ChEMBL_1336163

Residue:

710

Sequence:

MLSFQYPDVYRDETSVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIR
GLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNTLS
DDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFTCMAWTH
DGKGMFYNSYPQQDGKSDGTETSTNLHQKLCYHVLGTDQSEDVLCAEFPDEPKWMGGAEL
SDDGRYVLLSIWEGCDPVNRLWYCDLQQGSNGINGILKWVKLIDNFEGEYDYITNEGTVF
TFKTNRNSPNYRLINIDFTDPDESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLRNVKNI
LQLHDLTTGALLKTFPLDVGSVVGYSGRKKDSEIFYQFTSFLSPGVIYHCDLTREELEPR
VFREVTVKGIDASDYQTIQVFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISI
TPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKE
GYTTSKRLTINGGSNGGLLVAACANQRPDLFGCVIAQVGVMDMLKFHKFTIGHAWTTDYG
CSDSKQHFEWLLKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIV
GRSRKQSNPLLIHVDTKAGHGPGKPTAKVIEEVSDMFAFIARCLNIEWIQ

BDBM50155838

n/a

Name

BDBM50155838

Synonyms:

(S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile | (S)-1-[(S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile | CHEMBL189620

Type

Small organic molecule

Emp. Form.

C20H25N3O2

Mol. Mass.

339.4314

SMILES

O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N

Structure